Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.35 |
| ▸ | IGF1R | P08069 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL400150 | 0.83 | DHODH (0.35) | CYP3A4NPC1RAB9AARCYP1A2 | |
| SCHEMBL402106 | 0.80 | MET (0.38) | CYP3A4NPC1RAB9AARCYP1A2 | |
| SCHEMBL398011 | 0.80 | IGF1R (0.37) | CYP3A4NPC1RAB9AARCYP1A2 | |
| Hydrochloric Acid SCHEMBL399812 | 0.79 | CYP3A4 (0.37) | CYP3A4NPC1RAB9AARCYP1A2 | |
| SCHEMBL27961601 | 0.78 | DHODH (0.33) | NPC1RAB9ACNR1 | |
| SCHEMBL19263843 | 0.77 | IGF1R (0.35) | CYP3A4NPC1RAB9AARCYP1A2 | |
| SCHEMBL400042 | 0.75 | HSP90AA1 (0.40) | CYP3A4NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL400614 | 0.72 | DHODH (0.34) | ARIGF1RMAOAMAOBKDM4E | |
| SCHEMBL401445 | 0.72 | ADORA1 (0.40) | CYP3A4CYP1A2CYP2D6CYP2C9CNR1 | |
| SCHEMBL3147975 | 0.71 | WNT3A (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957496-A2 | BICYCLIC PROTEIN KINASE INHIBITORS | OSI Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007064993-A2 | BICYCLIC PROTEIN KINASE INHIBITORS | OSI PHARMACEUTICALS, INC. (US) | 2007-06-07 | — | — | WO | disclosed |